General Information of the Compound
| Compound ID |
CP0122880
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| Compound Name |
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)-3-(1H-pyrrolo[3,2-b]pyridin-3-yl)propan-2-amine
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| Structure |
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| Formula |
C27H24N6O2
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| Molecular Weight |
464.529
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| Canonical SMILES |
Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3cccnc23)cnc1-c1ccoc1
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| InChI |
InChI=1S/C27H24N6O2/c1-16-22-10-17(4-5-24(22)33-32-16)23-11-21(13-31-26(23)18-6-8-34-14-18)35-15-20(28)9-19-12-30-25-3-2-7-29-27(19)25/h2-8,10-14,20,30H,9,15,28H2,1H3,(H,32,33)/t20-/m0/s1
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| InChIKey |
XXVNKFJYPJJEPN-FQEVSTJZSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound